Antreas Afantitis: search on Z-Library

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1

Nanoinformatics: Artificial Intelligence and Nanotechnology in the New Decade

Afantitis, Antreas

Journal:

Combinatorial Chemistry & High Throughput Screening

Year:

2020

Language:

english

File:

PDF, 1.25 MB

english, 2020

2

QSAR study on para-substituted aromatic sulfonamides as carbonic anhydrase II inhibitors using topological information indices

Georgia Melagraki, Antreas Afantitis, Haralambos Sarimveis, Olga Igglessi-Markopoulou, Claudiu T. Supuran

Journal:

Bioorganic & Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 140 KB

english, 2006

3

Computational toxicology: From cheminformatics to nanoinformatics

Melagraki, Georgia, Afantitis, Antreas

Journal:

Food and Chemical Toxicology

Year:

2018

Language:

english

File:

PDF, 470 KB

english, 2018

4

Computer-Aided Drug Design of β-Secretase, γ-Secretase and Anti-Tau Inhibitors for the Discovery of Novel Alzheimer’s Therapeutics

Mouchlis, Varnavas D., Melagraki, Georgia, Zacharia, Lefteris C., Afantitis, Antreas

Journal:

International Journal of Molecular Sciences

Year:

2020

Language:

english

File:

PDF, 2.34 MB

english, 2020

5

Enalos KNIME nodes: Exploring corrosion inhibition of steel in acidic medium

Melagraki, Georgia, Afantitis, Antreas

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

2013

Language:

english

File:

PDF, 450 KB

english, 2013

6

Functionalized 4-Hydroxy Coumarins: Novel Synthesis, Crystal Structure and DFT Calculations

Stefanou, Valentina, Matiadis, Dimitris, Melagraki, Georgia, Afantitis, Antreas, Athanasellis, Giorgos, Igglessi-Markopoulou, Olga, McKee, Vickie, Markopoulos, John

Journal:

Year:

2011

Language:

english

File:

PDF, 435 KB

english, 2011

7

Novel Short-Step Synthesis of Functionalized γ-Phenyl-β-hydroxybutenoates and Their Cyclization to 4-Hydroxycoumarins via the N-Hydroxybenzotriazole Methodology.

Giorgos Athanasellis, Georgia Melagraki, Haralambos Chatzidakis, Antreas Afantitis, Anastasia Detsi, Olga Igglessi-Markopoulou, John Markopoulos

Journal:

Year:

2005

File:

PDF, 33 KB

2005

8

NanoSolveIT Project: Driving Nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment

Afantitis, Antreas, Melagraki, Georgia, Isigonis, Panagiotis, Tsoumanis, Andreas, Danai Varsou, Dimitra, Valsami-Jones, Eugenia, Papadiamantis, Anastasios, Ellis, Laura-Jayne.A, Sarimveis, Haralambos,

Journal:

Computational and Structural Biotechnology Journal

Year:

2020

File:

PDF, 2.40 MB

2020

9

Metadata Stewardship in Nanosafety Research: Community-Driven Organisation of Metadata Schemas to Support FAIR Nanoscience Data

Papadiamantis, Anastasios G., Klaessig, Frederick C., Exner, Thomas E., Hofer, Sabine, Hofstaetter, Norbert, Himly, Martin, Williams, Marc A., Doganis, Philip, Hoover, Mark D., Afantitis, Antreas, Mel

Journal:

Year:

2020

File:

PDF, 6.37 MB

2020

10

A nanoinformatics decision support tool for the virtual screening of gold nanoparticle cellular association using protein corona fingerprints

Afantitis, Antreas, Melagraki, Georgia, Tsoumanis, Andreas, Valsami-Jones, Eugenia, Lynch, Iseult

Journal:

Year:

2018

Language:

english

File:

PDF, 2.03 MB

english, 2018

11

Prediction of intrinsic viscosity in polymer–solvent combinations using a QSPR model

Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis, Panayiotis A. Koutentis, John Markopoulos, Olga Igglessi-Markopoulou

Journal:

Year:

2006

Language:

english

File:

PDF, 190 KB

english, 2006

12

ZetaâPotential ReadâAcross Model Utilizing Nanodescriptors Extracted via the NanoXtract Image Analysis Tool Available on the Enalos Nanoinformatics Cloud Platform

Varsou, DimitraâDanai, Afantitis, Antreas, Tsoumanis, Andreas, Papadiamantis, Anastasios, ValsamiâJones, Eugenia, Lynch, Iseult, Melagraki, Georgia

Journal:

Year:

2020

Language:

english

File:

PDF, 1.73 MB

english, 2020

13

A safe-by-design tool for functionalised nanomaterials through the Enalos Nanoinformatics Cloud platform

Varsou, Dimitra-Danai, Afantitis, Antreas, Tsoumanis, Andreas, Melagraki, Georgia, Sarimveis, Haralambos, Valsami-Jones, Eugenia, Lynch, Iseult

Journal:

Nanoscale Advances

Year:

2019

Language:

english

File:

PDF, 955 KB

english, 2019

14

Development and Evaluation of a QSPR Model for the Prediction of Diamagnetic Susceptibility

Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis, Panayiotis A. Koutentis, John Markopoulos, Olga Igglessi-Markopoulou

Journal:

Molecular Informatics

Year:

2008

Language:

english

File:

PDF, 195 KB

english, 2008

15

Antiproliferative novel isoxazoles: Modeling, virtual screening, synthesis, and bioactivity evaluation

Tzanetou, Evangelia, Liekens, Sandra, Kasiotis, Konstantinos M., Melagraki, Georgia, Afantitis, Antreas, Fokialakis, Nikolas, Haroutounian, Serkos A.

Journal:

European Journal of Medicinal Chemistry

Year:

2014

Language:

english

File:

PDF, 798 KB

english, 2014

16

A Novel QSAR Model for Evaluating and Predicting the Inhibition Activity of Dipeptidyl Aspartyl Fluoromethylketones

Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis, Panayiotis A. Koutentis, John Markopoulos, Olga Igglessi-Markopoulou

Journal:

Molecular Informatics

Year:

2006

Language:

english

File:

PDF, 109 KB

english, 2006

17

Exploiting ChEMBL database to identify indole analogs as HCV replication inhibitors

Vrontaki, Eleni, Melagraki, Georgia, Mavromoustakos, Thomas, Afantitis, Antreas

Journal:

Year:

2015

Language:

english

File:

PDF, 2.71 MB

english, 2015

18

Synthesis and evaluation of the antioxidant and anti-inflammatory activity of novel coumarin-3-aminoamides and their alpha-lipoic acid adducts

Georgia Melagraki, Antreas Afantitis, Olga Igglessi-Markopoulou, Anastasia Detsi, Maria Koufaki, Christos Kontogiorgis, Dimitra J. Hadjipavlou-Litina

Journal:

European Journal of Medicinal Chemistry

Year:

2009

Language:

english

File:

PDF, 255 KB

english, 2009

19

Identification of a series of novel derivatives as potent HCV inhibitors by a ligand-based virtual screening optimized procedure

Georgia Melagraki, Antreas Afantitis, Haralambos Sarimveis, Panayiotis A. Koutentis, John Markopoulos, Olga Igglessi-Markopoulou

Journal:

Bioorganic & Medicinal Chemistry

Year:

2007

Language:

english

File:

PDF, 193 KB

english, 2007

20

Identification of putative estrogen receptor-mediated endocrine disrupting chemicals using QSAR- and structure-based virtual screening approaches

Zhang, Liying, Sedykh, Alexander, Tripathi, Ashutosh, Zhu, Hao, Afantitis, Antreas, Mouchlis, Varnavas D., Melagraki, Georgia, Rusyn, Ivan, Tropsha, Alexander

Journal:

Toxicology and Applied Pharmacology

Year:

2013

Language:

english

File:

PDF, 2.30 MB

english, 2013

21

In Silico Exploration for Identifying Structure–Activity Relationship of MEK Inhibition and Oral Bioavailability for Isothiazole Derivatives

Georgia Melagraki, Antreas Afantitis, Haralambos Sarimveis, Olga Igglessi-Markopoulou, Panayiotis A. Koutentis, George Kollias

Journal:

Chemical Biology & Drug Design

Year:

2010

Language:

english

File:

PDF, 1.17 MB

english, 2010

22

Rational design, efficient syntheses and biological evaluation of N,N′-symmetrically bis-substituted butylimidazole analogs as a new class of potent Angiotensin II receptor blockers

Agelis, George, Resvani, Amalia, Koukoulitsa, Catherine, Tůmová, Tereza, Slaninová, Jiřina, Kalavrizioti, Dimitra, Spyridaki, Katerina, Afantitis, Antreas, Melagraki, Georgia, Siafaka, Athanasia, Gkin

Journal:

European Journal of Medicinal Chemistry

Year:

2013

Language:

english

File:

PDF, 1.89 MB

english, 2013

23

Cyclisation of Novel Amino Oxo Esters to Tetramic Acids − Density Functional Theory Study of the Reaction Mechanism

Anastasia Detsi, Antreas Afantitis, Giorgos Athanasellis, John Markopoulos, Olga Igglessi-Markopoulou, Chris-Kriton Skylaris

Journal:

European Journal of Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 241 KB

english, 2003

24

Prediction of high weight polymers glass transition temperature using RBF neural networks

Antreas Afantitis, Georgia Melagraki, Kalliopi Makridima, Alex Alexandridis, Haralambos Sarimveis, Olga Iglessi-Markopoulou

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 129 KB

english, 2005

25

Novel Short-Step Synthesis of Functionalized γ-Phenyl-β-hydroxybutenoates and their Cyclization to 4-Hydroxycoumarins via the N -Hydroxybenzotriazole Methodology

Athanasellis, Giorgos, Melagraki, Georgia, Chatzidakis, Haralambos, Afantitis, Antreas, Detsi, Anastasia, Igglessi-Markopoulou, Olga, Markopoulos, John

Journal:

Year:

2004

Language:

english

File:

PDF, 212 KB

english, 2004

26

Aqueous Solubility Enhancement for Bioassays of Insoluble Inhibitors and QSPR Analysis: A TNF-α Study

Mettou, Anthi, Papaneophytou, Christos, Melagraki, Georgia, Maranti, Anna, Liepouri, Fotini, Alexiou, Polyxeni, Papakyriakou, Athanasios, Couladouros, Elias, Eliopoulos, Elias, Afantitis, Antreas, Kon

Journal:

Year:

2017

Language:

english

File:

PDF, 918 KB

english, 2017

27

Editorial (Thematic Issue: Advances in Cheminformatics: Drug Discovery, Computational Toxicology and Nanomaterials (Part II))

Afantitis, Antreas, Melagraki, Georgia

Journal:

Combinatorial Chemistry & High Throughput Screening

Year:

2015

Language:

english

File:

PDF, 383 KB

english, 2015

28

A Novel RBF Neural Network Training Methodology to Predict Toxicity to Vibrio Fischeri

Georgia Melagraki, Antreas Afantitis, Haralambos Sarimveis, Olga Igglessi-Markopoulou, Alex Alexandridis

Journal:

Molecular Diversity

Year:

2006

Language:

english

File:

PDF, 249 KB

english, 2006

29

Hydroxamic Acids Constitute a Novel Class of Autotaxin Inhibitors that Exhibit in vivo Efficacy in a Pulmonary Fibrosis Model

Nikolaou, Aikaterini, Ninou, Ioanna, Kokotou, Maroula G., Kaffe, Eleanna, Afantitis, Antreas, Aidinis, Vassilis, Kokotos, George

Journal:

Journal of Medicinal Chemistry

Year:

2018

Language:

english

File:

PDF, 2.06 MB

english, 2018

30

In Silico Discovery of Plant-Origin Natural Product Inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL)

Melagraki, Georgia, Ntougkos, Evangelos, Papadopoulou, Dimitra, Rinotas, Vagelis, Leonis, Georgios, Douni, Eleni, Afantitis, Antreas, Kollias, George

Journal:

Frontiers in Pharmacology

Year:

2018

Language:

english

File:

PDF, 2.83 MB

english, 2018

31

[BMJ Publishing Group Ltd and European League Against Rheumatism 37th European Workshop for Rheumatology Research 2–4 March 2017 Athens, Greece - ()] Omics - 05.17 An integrated chemoinformatics-aided pipeline for the discovery of small–molecule dual inhibitors of tnf and rankl

Papadopoulou, Dimitra, Melagraki, Georgia, Ntougkos, Evangelos, Rinotas, Vagelis, Douni, Eleni, Afantitis, Antreas, Kollias, George

Language:

english

File:

PDF, 84 KB

english

32

Consensus Predictive Model for the prediction of Human K562 Cell Growth Inhibition through Enalos Cloud Platform

Afantitis, Antreas, Leonis, Georgios, Gambari, Roberto, Melagraki, Georgia

Journal:

Year:

2017

Language:

english

File:

PDF, 1.57 MB

english, 2017

33

Editorial

Afantitis, Antreas

Journal:

Combinatorial Chemistry & High Throughput Screening

Year:

2013

Language:

english

File:

PDF, 44 KB

english, 2013

34

Cheminformatics and virtual screening studies of COMT inhibitors as potential Parkinson’s disease therapeutics

Moschovou, Kalliopi, Melagraki, Georgia, Mavromoustakos, Thomas, Zacharia, Lefteris C., Afantitis, Antreas

Journal:

Expert Opinion on Drug Discovery

Year:

2019

Language:

english

File:

PDF, 1.63 MB

english, 2019

35

Prediction of toxicity using a novel RBF neural network training methodology

Georgia Melagraki, Antreas Afantitis, Kalliopi Makridima, Haralambos Sarimveis, Olga Igglessi-Markopoulou

Journal:

Journal of Molecular Modeling

Year:

2006

Language:

english

File:

PDF, 309 KB

english, 2006

36

A novel QSAR model for predicting the inhibition of CXCR3 receptor by 4-N-aryl-[1,4] diazepane ureas

Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis, Olga Igglessi-Markopoulou, George Kollias

Journal:

European Journal of Medicinal Chemistry

Year:

2009

Language:

english

File:

PDF, 233 KB

english, 2009

37

Risk Governance of Emerging Technologies Demonstrated in Terms of its Applicability to Nanomaterials

Isigonis, Panagiotis, Afantitis, Antreas, Antunes, Dalila, Bartonova, Alena, Beitollahi, Ali, Bohmer, Nils, Bouman, Evert, Chaudhry, Qasim, Cimpan, Mihaela Roxana, Cimpan, Emil, Doak, Shareen, Dupin,

Journal:

Year:

2020

File:

PDF, 558 KB

2020

38

A novel simple QSAR model for the prediction of anti-HIV activity using multiple linear regression analysis

Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis, Panayiotis A. Koutentis, John Markopoulos, Olga Igglessi-Markopoulou

Journal:

Molecular Diversity

Year:

2006

Language:

english

File:

PDF, 205 KB

english, 2006

39

Molecular Modeling on Pyrimidine-Urea Inhibitors of TNF-α Production: An Integrated Approach Using a Combination of Molecular Docking, Classification Techniques, and 3D-QSAR CoMSIA

Mouchlis, Varnavas D., Melagraki, Georgia, Mavromoustakos, Thomas, Kollias, George, Afantitis, Antreas

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 467 KB

english, 2012

40

Searching for anthranilic acid-based thumb pocket 2 HCV NS5B polymerase inhibitors through a combination of molecular docking, 3D-QSAR and virtual screening

Vrontaki, Eleni, Melagraki, Georgia, Mavromoustakos, Thomas, Afantitis, Antreas

Journal:

Journal of Enzyme Inhibition and Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 960 KB

english, 2015

41

Design and Synthesis of Novel Quinolinone-3-aminoamides and Their α-Lipoic Acid Adducts as Antioxidant and Anti-inflammatory Agents

Detsi, Anastasia, Bouloumbasi, Dionysia, Prousis, Kyriakos C., Koufaki, Maria, Athanasellis, Giorgos, Melagraki, Georgia, Afantitis, Antreas, Igglessi-Markopoulou, Olga, Kontogiorgis, Christos, Hadjip

Journal:

Journal of Medicinal Chemistry

Year:

2007

Language:

english

File:

PDF, 102 KB

english, 2007

42

Development of Deep Learning Models for Predicting the Effects of Exposure to Engineered Nanomaterials on Daphnia magna

Karatzas, Pantelis, Melagraki, Georgia, Ellis, LauraâJayne A., Lynch, Iseult, Varsou, DimitraâDanai, Afantitis, Antreas, Tsoumanis, Andreas, Doganis, Philip, Sarimveis, Haralambos

Journal:

Year:

2020

File:

PDF, 1.67 MB

2020

43

Structure-Based Discovery of Novel Chemical Classes of Autotaxin Inhibitors

Magkrioti, Christiana, Kaffe, Eleanna, Stylianaki, Elli-Anna, Sidahmet, Camelia, Melagraki, Georgia, Afantitis, Antreas, Matralis, Alexios N., Aidinis, Vassilis

Journal:

International Journal of Molecular Sciences

Year:

2020

File:

PDF, 3.29 MB

2020

44

Stability and binding effects of silver(I) complexes at lipoxygenase-1

Vrontaki, Eleni, Leonis, Georgios, Avramopoulos, Aggelos, Papadopoulos, Manthos G., Simčič, Mihael, Grdadolnik, Simona Golič, Afantitis, Antreas, Melagraki, Georgia, Hadjikakou, Sotiris K., Mavromoust

Journal:

Journal of Enzyme Inhibition and Medicinal Chemistry

Year:

2014

Language:

english

File:

PDF, 849 KB

english, 2014

45

Read-across predictions of nanoparticle hazard endpoints: a mathematical optimization approach

Varsou, Dimitra-Danai, Afantitis, Antreas, Melagraki, Georgia, Sarimveis, Haralambos

Journal:

Nanoscale Advances

Year:

2019

File:

PDF, 1.25 MB

2019

46

A combined LS-SVM & MLR QSAR workflow for predicting the inhibition of CXCR3 receptor by quinazolinone analogs

Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis, Panayiotis A. Koutentis, Olga Igglessi-Markopoulou, George Kollias

Journal:

Molecular Diversity

Year:

2010

Language:

english

File:

PDF, 338 KB

english, 2010

47

Ligand - based virtual screening procedure for the prediction and the identification of novel β-amyloid aggregation inhibitors using Kohonen maps and Counterpropagation Artificial Neural Networks

Antreas Afantitis, Georgia Melagraki, Panayiotis A. Koutentis, Haralambos Sarimveis, George Kollias

Journal:

European Journal of Medicinal Chemistry

Year:

2011

Language:

english

File:

PDF, 676 KB

english, 2011

48

Predictive QSAR workflow for the in silico identification and screening of novel HDAC inhibitors

Georgia Melagraki, Antreas Afantitis, Haralambos Sarimveis, Panayiotis A. Koutentis, George Kollias, Olga Igglessi-Markopoulou

Journal:

Molecular Diversity

Year:

2009

Language:

english

File:

PDF, 353 KB

english, 2009

49

Read-across predictions of nanoparticle hazard endpoints: a mathematical optimization approach

Varsou, Dimitra-Danai, Afantitis, Antreas, Melagraki, Georgia, Sarimveis, Haralambos

Journal:

Nanoscale Advances

Year:

2019

Language:

english

File:

PDF, 1.25 MB

english, 2019

50

A novel QSAR model for predicting induction of apoptosis by 4-aryl-4H-chromenes

Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis, Panayiotis A. Koutentis, John Markopoulos, Olga Igglessi-Markopoulou

Journal:

Bioorganic & Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 215 KB

english, 2006

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